data_AVS_bmrb_pdb_report_6627 save_AVS_chem_shift_analysis _AVS_report.Sf_category AVS_report _AVS_report.Sf_framecode AVS_chem_shift_analysis _AVS_report.Entry_ID 6627 _AVS_report.ID 1 _AVS_report.Software_ID 1 _AVS_report.Software_label $AVS loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Comp_overall_assignment_score _AVS_analysis.Comp_typing_score _AVS_analysis.Comp_SRO_score _AVS_analysis.Comp_1H_shifts_analysis_status _AVS_analysis.Comp_13C_shifts_analysis_status _AVS_analysis.Comp_15N_shifts_analysis_status _AVS_analysis.SRO_rule_break _AVS_analysis.SRO_rule_break_probability 6627 1 1 1 1 20 PRO Anomalous Consistent Consistent Anomalous Consistent Indeterminable . . 6627 1 1 1 1 23 THR Anomalous Consistent Consistent Duplicate Anomalous Indeterminable . . stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.Atom_ID _AVS_analysis.Observed_chem_shift _AVS_analysis.Observed_chem_shift_typing _AVS_analysis.Stat_chem_shift_expected _AVS_analysis.Stat_chem_shift_std _AVS_analysis.Stat_chem_shift_chi_sqr 6627 1 1 1 1 20 PRO CA 65.0 . 63.3 1.64 2.9993e-01 6627 1 1 1 1 20 PRO CB 32.3 . 31.81 1.54 7.5035e-01 6627 1 1 1 1 20 PRO CD 48.9 . 50.28 1.04 1.8453e-01 6627 1 1 1 1 20 PRO HA 3.47 D 4.41 0.36 9.0249e-03 6627 1 1 1 1 20 PRO HB2 1.73 D 2.05 0.39 4.1192e-01 6627 1 1 1 1 20 PRO HB3 -0.38 M 2.05 0.39 4.6415e-10 6627 1 1 1 1 20 PRO HG2 1.21 . 1.93 0.36 4.5500e-02 6627 1 1 1 1 20 PRO HG3 1.21 . 1.92 0.37 5.4995e-02 6627 1 1 1 1 20 PRO HD2 3.15 D 3.64 0.36 1.7348e-01 6627 1 1 1 1 20 PRO HD3 3.40 D 3.63 0.4 5.6529e-01 6627 1 1 1 1 23 THR C 174.5 . 174.6 1.8 9.5570e-01 6627 1 1 1 1 23 THR CA 51.7 M 62.15 2.72 1.2208e-04 6627 1 1 1 1 23 THR CB 72.5 . 69.64 1.7 9.2500e-02 6627 1 1 1 1 23 THR CG2 21.2 . 21.44 1.39 8.6292e-01 6627 1 1 1 1 23 THR H 10.02 . 8.27 0.62 4.7639e-03 6627 1 1 1 1 23 THR HA 5.10 D 4.48 0.5 2.1498e-01 6627 1 1 1 1 23 THR HB 3.78 D 4.17 0.37 2.9186e-01 6627 1 1 1 1 23 THR HG2 0.93 D 1.16 0.28 4.1140e-01 stop_ loop_ _AVS_analysis.Entry_ID _AVS_analysis.AVS_report_ID _AVS_analysis.Assembly_ID _AVS_analysis.Entity_assembly_ID _AVS_analysis.Entity_ID _AVS_analysis.Comp_index_ID _AVS_analysis.Comp_ID _AVS_analysis.PRTL_comp_type _AVS_analysis.PRTL_probability_score 6627 1 1 1 1 20 PRO PRO 0.81 6627 1 1 1 1 20 PRO CYS 0.16 6627 1 1 1 1 20 PRO GLY 0.02 6627 1 1 1 1 23 THR CYS 0.98 6627 1 1 1 1 23 THR THR 0.01 stop_ save_ save_AVS _Software.Sf_category software _Software.Sf_framecode AVS _Software.Entry_ID 6627 _Software.ID 1 _Software.Name "AutoPeak - validate_assignments" _Software.Version 1.4 _Software.Details ; Original version modified by BMRB to export results in a BMRB STAR format. Changed status "Misassigned" to "Anomalous" ; loop_ _Vendor.Entry_ID _Vendor.Software_ID _Vendor.Name _Vendor.Address _Vendor.Electronic_address 6627 1 "Hunter Moseley" ; Center for Advanced Biotechnology and Medicine Rutgers University 679 Hoes Lane, Piscataway NJ 08854-5638 ; hunter@cabm.rutgers.edu stop_ loop_ _Task.Entry_ID _Task.Software_ID _Task.Task 6627 1 "validate protein chemical shift assignments" stop_ loop_ _Software_citation.Entry_ID _Software_citation.Software_ID _Software_citation.Citation_ID _Software_citation.Citation_label 6627 1 2 $AVS_citation stop_ save_ save_AVS_citation _Citation.Sf_category citation _Citation.Sf_framecode AVS_citation _Citation.Entry_ID 6627 _Citation.ID 2 _Citation.Class citation _Citation.PubMed_ID 14872126 _Citation.Full_citation ; Moseley HN, Sahota G, Montelione GT., Assignment validation software suite for the evaluation and presentation of protein resonance assignment data. J Biomol NMR. 28, 341-55 (2004) ; _Citation.Status published _Citation.Type journal save_